N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide

C17H18ClNO3 — CID 28632210

IUPACN-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-19(11-12-4-7-14(18)8-5-12)17(20)13-6-9-15(21-2)16(10-13)22-3/h4-10H,11H2,1-3H3
InChIKeyLUVKPZGGKCCKMI-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide (PubChem CID 28632210) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
PubChem CID28632210
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-19(11-12-4-7-14(18)8-5-12)17(20)13-6-9-15(21-2)16(10-13)22-3/h4-10H,11H2,1-3H3
InChIKeyLUVKPZGGKCCKMI-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903773
N-benzyl-4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-methylbenzamide
CID 27665732

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide (CID 28632210) is N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is LUVKPZGGKCCKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(11-12-4-7-14(18)8-5-12)17(20)13-6-9-15(21-2)16(10-13)22-3/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 28632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).